Asari

Use

Take in .mzML file.

Basic Data Concept

https://github.com/shuzhao-li/metDataMode

├── Experiment
   ├── Sample
       ├── MassTrack
           ├── Peak
           ├── Peak
       ├── MassTrack 
           ├── Peak
           ├── Peak
    ...
   ├── Sample 
    ...
   ├── Sample 

A sample here corresponds to an inhection file in LC-MS experiments.
A MassTrack is an extracted chromatogram for a specific m/z measurement, governing full retention time. Therefore, a Mass Track may include multiple mass traces.

compared to mummichog, asari generate directly from input data.

mummichog maps whole database into 0-2000 m/z.

Analyze

Extract_massTracks_

Get Thousandth bins

1. filter less than min_timepoints
2. combine adjacent bins

Questions

chromatograms.py line 215: ppm of mz * 1000?